[3-(4-pyrrolidin-1-ylpyrimidin-2-yl)morpholin-4-yl]-thiophen-2-ylmethanone

C17H20N4O2S — CID 131642541

IUPAC[3-(4-pyrrolidin-1-ylpyrimidin-2-yl)morpholin-4-yl]-thiophen-2-ylmethanone
SMILESO=C(c1cccs1)N1CCOCC1c1nccc(N2CCCC2)n1
InChIInChI=1S/C17H20N4O2S/c22-17(14-4-3-11-24-14)21-9-10-23-12-13(21)16-18-6-5-15(19-16)20-7-1-2-8-20/h3-6,11,13H,1-2,7-10,12H2
InChIKeyPLGFKAGQKKBBGP-UHFFFAOYSA-N
MW344.44 g/mol
LogP2.35
Rot. Bonds3

About [3-(4-pyrrolidin-1-ylpyrimidin-2-yl)morpholin-4-yl]-thiophen-2-ylmethanone

[3-(4-pyrrolidin-1-ylpyrimidin-2-yl)morpholin-4-yl]-thiophen-2-ylmethanone (PubChem CID 131642541) has the molecular formula C17H20N4O2S and a molecular weight of 344.44 g/mol. Its IUPAC name is [3-(4-pyrrolidin-1-ylpyrimidin-2-yl)morpholin-4-yl]-thiophen-2-ylmethanone.

Molecular Properties

Compound Name[3-(4-pyrrolidin-1-ylpyrimidin-2-yl)morpholin-4-yl]-thiophen-2-ylmethanone
PubChem CID131642541
Molecular FormulaC17H20N4O2S
Molecular Weight344.44 g/mol
Exact Mass344.13
IUPAC Name[3-(4-pyrrolidin-1-ylpyrimidin-2-yl)morpholin-4-yl]-thiophen-2-ylmethanone
SMILESO=C(c1cccs1)N1CCOCC1c1nccc(N2CCCC2)n1
InChIInChI=1S/C17H20N4O2S/c22-17(14-4-3-11-24-14)21-9-10-23-12-13(21)16-18-6-5-15(19-16)20-7-1-2-8-20/h3-6,11,13H,1-2,7-10,12H2
InChIKeyPLGFKAGQKKBBGP-UHFFFAOYSA-N
XLogP2.35
TPSA58.56 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.44
LogP ≤ 52.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of [3-(4-pyrrolidin-1-ylpyrimidin-2-yl)morpholin-4-yl]-thiophen-2-ylmethanone?
The IUPAC name of [3-(4-pyrrolidin-1-ylpyrimidin-2-yl)morpholin-4-yl]-thiophen-2-ylmethanone (CID 131642541) is [3-(4-pyrrolidin-1-ylpyrimidin-2-yl)morpholin-4-yl]-thiophen-2-ylmethanone.
What is the SMILES notation for [3-(4-pyrrolidin-1-ylpyrimidin-2-yl)morpholin-4-yl]-thiophen-2-ylmethanone?
The canonical SMILES for [3-(4-pyrrolidin-1-ylpyrimidin-2-yl)morpholin-4-yl]-thiophen-2-ylmethanone is O=C(c1cccs1)N1CCOCC1c1nccc(N2CCCC2)n1.
What is the InChIKey of [3-(4-pyrrolidin-1-ylpyrimidin-2-yl)morpholin-4-yl]-thiophen-2-ylmethanone?
The InChIKey is PLGFKAGQKKBBGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N4O2S/c22-17(14-4-3-11-24-14)21-9-10-23-12-13(21)16-18-6-5-15(19-16)20-7-1-2-8-20/h3-6,11,13H,1-2,7-10,12H2.
What are the key properties of [3-(4-pyrrolidin-1-ylpyrimidin-2-yl)morpholin-4-yl]-thiophen-2-ylmethanone?
[3-(4-pyrrolidin-1-ylpyrimidin-2-yl)morpholin-4-yl]-thiophen-2-ylmethanone has a molecular weight of 344.44 g/mol, XLogP of 2.35, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(4-pyrrolidin-1-ylpyrimidin-2-yl)morpholin-4-yl]-thiophen-2-ylmethanone is sourced from PubChem (CID 131642541), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).